2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide

C14H15BrN2 — CID 173446350

IUPAC2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide
SMILESBr.C1=Cn2cccc2CN1Cc1ccccc1
InChIInChI=1S/C14H14N2.BrH/c1-2-5-13(6-3-1)11-15-9-10-16-8-4-7-14(16)12-15;/h1-10H,11-12H2;1H
InChIKeyVZAQIWKRJFSUAJ-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.51
Rot. Bonds2

About 2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide

2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide (PubChem CID 173446350) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide.

Molecular Properties

Compound Name2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide
PubChem CID173446350
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide
SMILESBr.C1=Cn2cccc2CN1Cc1ccccc1
InChIInChI=1S/C14H14N2.BrH/c1-2-5-13(6-3-1)11-15-9-10-16-8-4-7-14(16)12-15;/h1-10H,11-12H2;1H
InChIKeyVZAQIWKRJFSUAJ-UHFFFAOYSA-N
XLogP3.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide?
The IUPAC name of 2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide (CID 173446350) is 2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide.
What is the SMILES notation for 2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide?
The canonical SMILES for 2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide is Br.C1=Cn2cccc2CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide?
The InChIKey is VZAQIWKRJFSUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.BrH/c1-2-5-13(6-3-1)11-15-9-10-16-8-4-7-14(16)12-15;/h1-10H,11-12H2;1H.
What are the key properties of 2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide?
2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide has a molecular weight of 291.19 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide is sourced from PubChem (CID 173446350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).